Synthetic data can improve statistical inference when real data are scarce, but naively treating synthetic samples as real data can introduce bias and lead to unreliable inference. We develop a general framework for synthetic-augmented inference across a population of related tasks. It characterizes synthetic augmentation by the number of synthetic observations and their weight. Central to our framework is a size-weight frontier that specifies, for each weight, the largest synthetic sample size for which all smaller sizes attain the target task-marginal coverage. We estimate this frontier from historical tasks, and establish a finite-sample coverage guarantee simultaneously for all size-weight configurations on or below the estimated frontier. In experiments using large language model responses to augment opinion survey data, our procedure achieves target coverage and substantially narrows confidence intervals.
Privacy-preserving learning is often motivated by the idea that protecting users'data can preserve trust and thus participation, improving utility in the long term. However, this claim has not been formalized so far. In parallel, performative learning provides a framework for studying learning systems whose deployment affects the data they later observe. In this work, we bring these two perspectives together and introduce \emph{performative privacy}, where data leakage reduces future participation. We study a simple model where agents repeatedly contribute data for mean estimation but may leave the system when their data is leaked. Privacy is implemented through differentially private mechanisms, creating a trade-off between estimation noise and future participation. We show, through a theoretical study of the dynamics and numerical experiments, that a finite privacy budget can outperform non-private estimation in the long term when the feedback loop between leakage and participation is sufficiently strong. This provides first evidence that differential privacy can be optimal not only as a protection mechanism, but also from the perspective of long-term utility.
Uddalak Mukherjee, Edwige Cyffers, Y. Chevaleyre· 0 citations
We study risk-averse decision making, in which an agent selects actions while being uncertain about the true system state. The risk is measured via optimized certainty equivalent (OCE) metrics, which generalize popular criteria such as mean-variance risk and conditional value-at-risk (CVaR). We characterize the optimal policy under known distributions, and show that it reduces to a prediction set-based solution for the CVaR. This provides an operational interpretation of conformal prediction-type prediction sets. For unknown distributions, we develop a data-driven calibration strategy, based on a synthetic model for the likelihood and held-out calibration data, yielding high-probability control of the OCE risk. The approach is evaluated on two wireless beamforming settings.
Nearest neighbor classification relies fundamentally on how locality is defined, yet conventional $k$-NN imposes the same neighborhood cardinality throughout the feature space. This assumption can be inadequate for data whose local geometry varies substantially across the underlying manifold. We introduce Curvature-Aware Radius Shrinkage for Adaptive Nearest Neighbor Classification (CARSANN), a geometry-driven framework that adapts the spatial support of each neighborhood according to local geometric complexity. CARSANN first estimates intrinsic dimensionality using TwoNN and constructs an intrinsic representation through principal component analysis. Local mean curvature is then estimated using a shape-operator-based formulation and controls neighborhood scale: highly curved regions receive stronger radius shrinkage, whereas approximately flat regions retain broader spatial support. Unlike methods that modify only the number of neighbors or the local metric, CARSANN explicitly adapts the spatial extent of local evidence. Experiments on more than 70 real-world OpenML datasets show that CARSANN consistently improves upon standard $k$-NN and is competitive with adaptive nearest-neighbor methods. In a controlled comparison using the same base neighborhood size, CARSANN achieves higher balanced accuracy on 40 of 45 datasets, increasing mean balanced accuracy from 0.6506 to 0.7528. The advantage also persists against $k$-NN with fixed $k=5$. Friedman and Nemenyi tests confirm that the improvements are statistically significant. These results indicate that local manifold curvature can serve as an effective geometric control variable for adapting neighborhood support, providing a complementary paradigm to cardinality-based nearest-neighbor adaptation.
Alexandre L. M. Levada· 0 citations
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Retrieval-Augmented Generation (RAG) grounds Large Language Model (LLM) outputs in external knowledge, but RAG systems usually trust whatever they retrieve, creating a Security-Reliability Gap: high semantic relevance does not guarantee factual truth. Adversaries exploit this through knowledge poisoning, inserting malicious documents to cause targeted misinformation. We propose an Evaluation Agent, middleware that combines Natural Language Inference (NLI) factual verification, a five-signal poison detector with relevance-weighted aggregation, and a Trust Index T = 0.4 F + 0.35 C + 0.25 (1 - P ) with a non-linear dampener for high-contamination contexts. On TruthfulQA with Llama 3.3 70B, the agent reaches 91% accuracy and 100% precision, with 100% recall on instruction injection, while in-place edits, such as entity swaps, remain hard to detect. Across three LLMs the Trust Index stays discriminative, with a Receiver Operating Characteristic Area Under the Curve (ROC-AUC) of 0.73 to 0.81; generation style matters more than model size, and per-LLM threshold calibration restores baseline competitive accuracy, whereas a weaker FEVER result shows that cross-dataset generalization requires domain-specific calibration. In a software-engineering use case, a secure-coding assistant over guidance from the Open Worldwide Application Security Project (OWASP) Top 10 and the Common Weakness Enumeration (CWE), the agent reliably blocks instruction injection of unsafe advice (F1 92%), while contradiction and subtle semantic weakening remain hard. Throughout, the agent measures detection of poisoned context before generation, not whether the LLM adopts the injected misinformation. We release the proposed approach, attack generator, and experimental artifacts at the link: https://github.com/GPT-Laboratory/TrustworthyRAG.
Balkrishna Giri, M. Hasan, Jussi Rasku et al.· 0 citations
ProphDR is an interpretable deep learning framework that integrates multiomics data and drug structural information using a hierarchical attention mechanism, and generates biologically interpretable attention maps that highlight key pharmacophores and resistance-related genes consistent with established mechanisms in NSCLC and BRCA.
Yundian Zeng, Qing Ye, Jike Wang et al.· Journal of Chemical Informat...· 0 citations
These findings show that reliable evaluation of LLM-generated code requires validated ground truth, protected tests, and multiple explicitly interpreted measures, and that CodeAssay provides a reproducible basis for evidence-based model evaluation in AI-augmented software development.
Shahbaz Siddeeq, Muhammad Waseem, Umar Subhan Malhi et al.· 0 citations
The first comprehensive benchmarking framework specifically designed to accommodate inter-dataset heterogeneity is presented, finding that well-designed small datasets can match or even surpass the performance of larger benchmarks, suggesting that different metrics are applicable to different datasets/testing scenarios.
Yingjuan Cheng, Qing Ye, Linlong Jiang et al.· Journal of Cheminformatics· 0 citations
Current structure-based drug design generative models often struggle to faithfully recapitulate genuine ligand-protein binding interactions. Instead, under the coupling of implicit learning architectures and biased training data, they tend to learn spurious statistical correlations. To address this, we propose EIP-Diff (Explicit Interaction-Prompted Diffusion), an architecture featuring a novel explicit interaction-prompt embedding mechanism that is better suited for real-world target-specific drug design. This architecture replaces biased implicit learning with explicit, residue-level biological guidance, thereby promoting more fine-grained geometric fidelity and more precise interaction-aware conditioning. To fully realize the capabilities of EIP-Diff and provide a reliable basis for performance evaluation, we further constructed CrystalData set, which provides higher-fidelity and less-biased structural supervision than existing data sets. This explicit architecture markedly improves distribution consistency: even when trained on the crossdocked data set, EIP-Diff achieves the highest alignment with authentic pharmacological distributions among evaluated models. Training on CrystalData set further enhances this alignment and improves 3D geometric accuracy, while retaining strong controllability, high chemical space coverage, and near-perfect uniqueness. In addition, target-based validation on KAT6A and YTHDC1 confirmed that EIP-Diff accurately recapitulates native-like binding modes. Furthermore, in a real-world drug design task against IDO1, we successfully designed a novel lead compound with nanomolar potency (IC50 = 0.31 nM). These results demonstrate that the EIP-Diff architecture can explicitly leverage experimentally derived structural data and biologically meaningful interaction information for target-specific molecular generation, thereby enabling its effective application to real-world structure-based drug design.
Huabin Du, Mingyang Wang, M. Luo et al.· Journal of the American Chem...· 0 citations
This paper introduces Caduceus, a family of MoE-enhanced foundation models built with a hierarchical pre-training paradigm to jointly integrate biological and natural language, and incorporates a multi-task instruction tuning phase, enabling robust protein parsing and natural language question answering.
Mingze Yin, Yiheng Zhu, Jialu Wu et al.· Proceedings of the 32nd ACM...· 0 citations
Post-training alignment is often shallow, eroding under fine-tuning. It remains untested as to whether constitutional midtraining interventions can produce durable alignment when cleanly isolated from post-training. We build a 394M-token constitutional corpus from Anthropic's Constitution and apply constitutional midtraining at 120B scale, where principled, values-based content is inserted into midtraining. A 2x2 design (curriculum ordering x deliberative reasoning) was used to produce four constitutionally midtrained conditions, plus a control, which were evaluated on self-generated and established benchmarks including alignment under pressure, value conflict resolution, blackmail, and emergent misalignment. All models were evaluated across three stages: post-midtraining, post-SFT, and post-benign fine-tuning. Constitutionally midtrained models outperformed the control on alignment generalization and durability, notably on blackmail: SFT instilled a blackmail propensity in all models, but constitutional midtraining blunted it, with the advantage surviving benign fine-tuning (-17.5pp). This durability did not extend to settings that required active resistance to in-context pressure or conflict, where the advantage attenuates after SFT. The presence of constitutional content at midtraining also mattered more than its structure, and constitutional midtraining incurred no capability cost, on average, at any stage (MMLU, ARC-Easy, piqa, GSM8K). A modest amount of constitutional content at midtraining could therefore yield broad, persistent alignment gains, offering a cheap, complementary addition to SFT-centered pipelines. Code, data, and models are available.
Desiree Cho, Cameron Tice, Bernie Hogan et al.· 0 citations
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
